Information card for entry 1576732

Structure parameters

• Formula: C38 H26 Br4 Cl2 Cu N2 O6
• Calculated formula: C38 H26 Br4 Cl2 Cu N2 O6
• Title of publication: Catalytic asymmetric P^(III)-additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols.
• Authors of publication: Clarkson, Aidan J.; Alley, Kimberly A.; Werley, Bryn K.; Robins, Jacob G.; Liu, Shubin; Johnson, Jeffrey S.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 2837 - 2846
• a: 10.8594 ± 0.0005 Å
• b: 8.1479 ± 0.0004 Å
• c: 21.4301 ± 0.0008 Å
• α: 90°
• β: 90.222 ± 0.001°
• γ: 90°
• Cell volume: 1896.15 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No